2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

C22H17F2N7O2 — CID 53239343

IUPAC2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)c1cccc(F)c1F
InChIInChI=1S/C22H17F2N7O2/c23-16-6-3-5-15(19(16)24)21(32)26-12-18-27-22(33-29-18)20-14-4-1-2-7-17(14)28-31(20)11-10-30-9-8-25-13-30/h1-9,13H,10-12H2,(H,26,32)
InChIKeySAZBYTAANJACKN-UHFFFAOYSA-N
MW449.42 g/mol
LogP3.19
Rot. Bonds7

About 2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 53239343) has the molecular formula C22H17F2N7O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is 2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID53239343
Molecular FormulaC22H17F2N7O2
Molecular Weight449.42 g/mol
Exact Mass449.14
IUPAC Name2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)c1cccc(F)c1F
InChIInChI=1S/C22H17F2N7O2/c23-16-6-3-5-15(19(16)24)21(32)26-12-18-27-22(33-29-18)20-14-4-1-2-7-17(14)28-31(20)11-10-30-9-8-25-13-30/h1-9,13H,10-12H2,(H,26,32)
InChIKeySAZBYTAANJACKN-UHFFFAOYSA-N
XLogP3.19
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 53239343) is 2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is O=C(NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is SAZBYTAANJACKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O2/c23-16-6-3-5-15(19(16)24)21(32)26-12-18-27-22(33-29-18)20-14-4-1-2-7-17(14)28-31(20)11-10-30-9-8-25-13-30/h1-9,13H,10-12H2,(H,26,32).
What are the key properties of 2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 449.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 53239343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).